4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[(4-phenylphenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C21H16N3OS- MolecularWeight: 358.43624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)/p-1